Information card for entry 2205582

Structure parameters

• Chemical name: 2-(o-Tolyliminomethyl)phenol
• Formula: C14 H13 N O
• Calculated formula: C14 H13 N O
• SMILES: N(=C/c1c(O)cccc1)\c1ccccc1C
• Title of publication: 2-(<i>o</i>-Tolyliminomethyl)phenol
• Authors of publication: Cheng, Kui; You, Zhong-Lu; Li, Yu-Guang; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1137 - o1138
• a: 4.693 ± 0.001 Å
• b: 19.14 ± 0.003 Å
• c: 12.682 ± 0.002 Å
• α: 90°
• β: 97.973 ± 0.002°
• γ: 90°
• Cell volume: 1128.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes